6-[5-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1H-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[5-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1H-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[5-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1H-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[5-methyl-2-[2-(1-piperidin-1-iumyl)ethyl]-1H-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[5-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1H-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[5-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1H-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H23N4O+ MolecularWeight: 287.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CC=CC2=O)N(N1)CC[NH+]3CCCCC3

Isomeric SMILES

CC1=NC(=C2C=CC=CC2=O)N(N1)CC[NH+]3CCCCC3

InChI

InChI=1S/C16H22N4O/c1-13-17-16(14-7-3-4-8-15(14)21)20(18-13)12-11-19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,17,18)/p+1